(E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C26H25NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(4-morpholin-4-ylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C26H25NO3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OCc1ccccc1)c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C26H25NO3/c28-26(23-9-11-24(12-10-23)27-16-18-29-19-17-27)15-8-21-6-13-25(14-7-21)30-20-22-4-2-1-3-5-22/h1-15H,16-20H2 |
| InChIK | RHLSPOBRYGVJDW-UHFFFAOYSA-N |
| TotalMolweight | 399.489 |
| Molweight | 399.489 |
| MonoisotopicMass | 399.183444 |
| CLogP | 4.3209 |
| CLogS | -5.284 |
| H Acceptors | 4 |
| TotalSurfaceArea | 322.63 |
| Relative PSA | 0.11341 |
| PolarSurfaceArea | 38.77 |
| Druglikeness | 2.1759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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